4-(5-imidazol-1-ylthiophen-2-yl)-2-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(5-imidazol-1-ylthiophen-2-yl)-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(5-imidazol-1-yl-2-thienyl)-2-methyl-4-oxo-butanoic acid CAS Name: 4-[5-(1-imidazolyl)-2-thiophenyl]-2-methyl-4-oxobutanoic acid IUPAC Name: 4-(5-imidazol-1-ylthiophen-2-yl)-2-methyl-4-oxobutanoic acid Traditional Name: 4-(5-imidazol-1-yl-2-thienyl)-4-keto-2-methyl-butyric acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(S1)N2C=CN=C2)C(=O)O

Isomeric SMILES

CC(CC(=O)C1=CC=C(S1)N2C=CN=C2)C(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-8(12(16)17)6-9(15)10-2-3-11(18-10)14-5-4-13-7-14/h2-5,7-8H,6H2,1H3,(H,16,17)